| CAS Number | 1249464-35-4 |
| Catalog Number | AG01BCQ0 |
| Chemical Name | 4-methoxy-2-(2-methylpropoxy)benzoic acid |
| IUPAC Name | 4-methoxy-2-(2-methylpropoxy)benzoic acid |
| InChI | InChI=1S/C12H16O4/c1-8(2)7-16-11-6-9(15-3)4-5-10(11)12(13)14/h4-6,8H,7H2,1-3H3,(H,13,14) |
| InChI Key | MILGKKTWSJMZRN-UHFFFAOYSA-N |
| MDL Number | MFCD14696290 |
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.2530 |
| SMILES | COC1=CC(OCC(C)C)=C(C(O)=O)C=C1 |
| Synonyms | 4-methoxy-2-(2-methylpropoxy)benzoic acid,
1249464-35-4,
ZINC49854382,
AKOS009075950,
MCULE-1289499628,
NE35198,
Z149205824,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.256g/mol |
| Monoisotopic Mass | 224.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number